4IS6
Crystal structure of HLA-DR4 bound to GP100 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.502 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 90.290, 117.590, 41.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.265 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.454 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.760 | 2.500 |
Rmerge | 0.079 | 0.039 | 0.337 |
Number of reflections | 14968 | ||
<I/σ(I)> | 11.1 | ||
Completeness [%] | 93.0 | 96.3 | 71.2 |
Redundancy | 9.7 | 9.2 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG8000, magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |